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klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Introduction
Chemical Transformation
A B P G+ +=
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Introduction
Product Need by the Customer
• Either Specified Directly
• Or to be Forecasted by Sales/ Marketing Team
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Reaction Concepts
Enhancing Visualization
Introduction
Product Development Steps
Chemical Lab Chemical Plant
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Reaction Concepts
Enhancing Visualization
Introduction
Lab Work
For Basic Research
– New Molecule Development
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Reaction Concepts
Enhancing Visualization
Introduction
Literature Search
Published or Patented Work
If Available, Use It
Getting Reaction Conditions
- Concentration, Temperature, Pressure, etc.
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Introduction
Pilot Plant Work
Customization of Process to Suit Own Requirement
Attaining Reaction Conditions
- Mixing, Heating/Cooling Rate, Batch Cycle Time, etc.
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Reaction Concepts
Enhancing Visualization
Introduction
Plant Trials
Technology Transfer to Operational Team
Finalizing SOP
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Reaction Concepts
Enhancing Visualization
Introduction
Commercial Production
Safe & Economic Production in Routine
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Reaction Concepts
Enhancing Visualization
Introduction
Nature’s Process
Slow, But Perfect
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Reaction Concepts
Enhancing Visualization
Introduction
Man Made Process
Enhanced, But Imperfect
Yield < 100%
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Reaction Concepts
Enhancing Visualization
Efforts Required for Chemical Reactions
A B P G+ +=
a) Initiate the Reaction
b) Collision of Reactant Molecules
c) Maintain Favorable Environment
d) Facilitate Reaction
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Efforts Required for Chemical Reactions
a) Initiate the Reaction
o Thermal
o Sonic
o UV Rays
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Reaction Concepts
Enhancing Visualization
Efforts Required for Chemical Reactions
b) Collision of Reactant Molecules
S
L
G
S L G
Easy
Difficult
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Efforts Required for Chemical Reactions
c) Maintain Favorable Environment
• System Temperature
•Exothermic – Cooling Utility
•Endothermic – Heating Utility
• System Pressure
•Low BP Liquids
•Gaseous Reactants
• Reactant Concentration
•Irreversible
•Reversible
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Efforts Required for Chemical Reactions
d) Facilitate Reaction
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Conceptualization of Reactor Design
A.) Freeing Molecules/ Ions for Collision
Solids Solution
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Conceptualization of Reactor Design
B.) Enhancing Collisions of Molecules
• Mixing for Liquid/ Liquid or Liquid/ Solid
• Sparging of Gases in Liquid
• Fluidizing Solids in Liquid/ Gas
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Conceptualization of Reactor Design
C.) Maintaining Reaction Temperature
• Heating/ Cooling Utilities
• Mixing for Enhancing Heat Transfer Rate
• Pump Circulation with External Cooler
Start up & Routine Operation
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Conceptualization of Reactor Design
D.) Time for Reaction Completion
• Batch Reactor – Batch Time
• Continuous Reactor – Residence Time
Reaction Time depends upon Rate of Reaction
Reaction Kinetics
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Rate of Reaction
Rate of Reaction Depends Upon:
•Nature of Reactants
•Concentration
•Temperature
•Pressure
•Catalyst
•Surface Area of Reactant
•Presence of Light
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Rate of Reaction
Rate of Reaction Depends Upon:
•Nature of Reactants
•Concentration
•Temperature
•Pressure
•Catalyst
•Surface Area of Reactant
•Presence of Light
Fast Reaction
2 NO (g) + O2 (g) = 2 NO2 (g)
Slow Reaction
2 CO (g) + O2 (g) = 2 CO2 (g)
Different Amount of Energies required for Breaking Bonds
Ionic Reactions are fast as the ions are already free to join.
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Rate of Reaction
Rate of Reaction Depends Upon:
•Nature of Reactants
•Concentration
•Temperature
•Pressure
•Catalyst
•Surface Area of Reactant
•Presence of Light
Order of Reaction
aA + bB = cC + dD
Reaction Rate = k [A]x [B]y
Order of Reaction = x + y
For ‘0’ Order Reaction: 2 NH3 (g)  N2 (g) + 3 H2 (g) @1130 K and Pt Catalyst
Reaction Rate, r = - d[A]/dt = k
k = ([A]0 – [A])/t
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Rate of Reaction
Rate of Reaction Depends Upon:
•Nature of Reactants
•Concentration
•Temperature
•Pressure
•Catalyst
•Surface Area of Reactant
•Presence of Light
Order of Reaction
aA + bB = cC + dD
Reaction Rate = k [A]x [B]y
Order of Reaction = x + y
For ‘1’ Order Reaction: C2H4 (g) + H2 (g)  C2 H6 (g)
Reaction Rate, r = - d[A]/dt = k [A]
k = 2.303 log ([A]0/[A]) / t
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Rate of Reaction
Rate of Reaction Depends Upon:
•Nature of Reactants
•Concentration
•Temperature
•Pressure
•Catalyst
•Surface Area of Reactant
•Presence of Light
•Increased Concentration of Reactants improves
chances of Molecular Collisions
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Rate of Reaction
Rate of Reaction Depends Upon:
•Nature of Reactants
•Concentration
•Temperature
•Pressure
•Catalyst
•Surface Area of Reactant
•Presence of Light
•Collisions with sufficient energy (Activation
Energy) and proper Orientation only facilitate
to break bond and forming new product.
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Rate of Reaction
Rate of Reaction Depends Upon:
•Nature of Reactants
•Concentration
•Temperature
•Pressure
•Catalyst
•Surface Area of Reactant
•Presence of Light
C - Br
H
H
H
+δ -δ
+ OH
-
C - Br
H
H
H
+δ -δ
OH
-
. (No Product)
Improper
Orientation
Proper
Orientation
C---Br
H
HO
H
+δ-δ -δ
(Intermediate)
HO – C - H
H
H
+ Br
Effect of Orientation
(Product)
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Rate of Reaction
Rate of Reaction Depends Upon:
•Temperature
•Pressure
•Catalyst
•Surface Area of Reactant
•Presence of Light
T Rate
N2O5– for Half Decomposition
at 50oC 12 Mins
25oC 5 Hrs
0oC 10 Days
K = A e-Ea/RT
A = Arrhenius Factor or Frequency Factor
R = Gas Constant
Ea = Activation Energy
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Rate of Reaction
Rate of Reaction Depends Upon:
•Temperature
•Pressure
•Catalyst
•Surface Area of Reactant
•Presence of Light
Activated Complex
H
|
H
I
|
I
+
H I
H I
H - I
H - I
+
H2 + I2
2 HI
Ea = Activation Energy
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Rate of Reaction
Rate of Reaction Depends Upon:
•Temperature
•Pressure
•Catalyst
•Surface Area of Reactant
•Presence of Light
Effect of Rise of Temperature
T2 > T1
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Rate of Reaction
Rate of Reaction Depends Upon:
•Pressure
•Catalyst
•Surface Area of Reactant
•Presence of Light
For Gases,
Increase in Pressure increases
Molecular Concentration.
Thus Reaction Rate Increases.
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Rate of Reaction
Rate of Reaction Depends Upon:
•Catalyst
•Surface Area of Reactant
•Presence of Light
•Reduces Activation Energy
•Increases Speed of Reaction
without Consumption
•For Reversible Reactions,
Catalyst help to attain
equilibrium quickly without
disturbing the state of
equilibrium.
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Rate of Reaction
Rate of Reaction Depends Upon:
•Surface Area of Reactant
•Presence of LightFor Solid Reactant or Catalyst,
Smaller the Particle Size,
Greater is the Surface Area,
Faster the Reaction Rate.
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Rate of Reaction
Rate of Reaction Depends Upon:
•Presence of Light
Photosynthesis
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Engineering of Reactor
Space for Carrying Out Reaction
Reactor Vessel
•Type – Plug / CSTR
•Tubular/ Mixing Tank/ Fluidized Bed
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Engineering of Reactor
Space for Carrying Out Reaction
Reactor Vessel
•Volume (Working)
•Continuous
•Batch – Batch Cycle, Numbers
•Fed-Batch
•Volume (Gross)
•Additional Space (% Free Space)
•Gas/ Foam…
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Engineering of Reactor
Space for Carrying Out Reaction
Reactor Vessel
•Diameter/Height Ratio
•Depending upon Gas Flux, Mixing
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Engineering of Reactor
Space for Carrying Out Reaction
Reactor Vessel
•Material of Construction
•Worst conditions
•SS/ CSRL/ MS-SS Lining/ MS-Epoxy
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Reaction Concepts
Enhancing Visualization
Engineering of Reactor
Space for Carrying Out Reaction
Reactor Vessel
•Surface Finish
•For Easy to Clean
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Engineering of Reactor
Space for Carrying Out Reaction
Reactor Vessel
•Top / Bottom Ends
•Dished / Conical / Sloping
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Engineering of Reactor
Space for Carrying Out Reaction
Reactor Vessel
•Thickness
•Pressure
•Internal
•External
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Engineering of Reactor
Space for Carrying Out Reaction
Reactor Vessel
•Support
•Civil Work
•Legs/ Lugs
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Engineering of Reactor
Reactor Conditions
Uniform Concentration
•Reactants / Product / Catalyst
•Being reactants ‘A’ & ‘B’ are fed at one point only)
•Fluid Mixing
•Agitator – Top / Side / Baffle
•Air / Gas Sparging
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Engineering of Reactor
Reactor Conditions
Temperature
•Why : Exo/ Endo-Thermic Heat
(Surface to Bulk, Reaction Place to Bulk)
•How : Cooling / Heating
•Fluid Mixing for Heat Distribution
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Engineering of Reactor
Reactor Conditions
Pressure
•Why : To maintain liquid condition,
For Gases
(Rate is directly proportional to Pressure)
•How : Closed / Inert Gases for Liquids
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Engineering of Reactor
Reactor Conditions
Internal Environment
•Inert : By Nitrogen
•Aerobic : Air
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Engineering of Reactor
Heating / Cooling Arrangement
•Hardware Facility
•Jacket – Full/ Limpet/ Dimple
•Coil (Internal)
•External Heat Exchanger (With Circulation Pump)
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Engineering of Reactor
Heating / Cooling Arrangement
•Utility
•Cooling Water / Chilled Water / Brine / Steam
•M.O.C.
•Insulation
•Hot / Cold
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Engineering of Reactor
Parameter Measurement & Controls
•Sampling for Concentration
•Liquid / Gas Zone
•Pressure
•Temperature
•pH
•Foam
•Liquid Level
•Flow Rate
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Engineering of Reactor
Agitator
•Type – Blade
•Number of Impeller
•Speed
•Baffle
•Sealing Arrangement
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Engineering of Reactor
Nozzles
•Input – Liquid / Solid / Gas
•Output
•Utility
•Agitator
•Instrument
•Cleaning – Spray Nozzle
•Sampling
•SG/LG/Manhole
•PSV
•Spare
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Scale up Issues
Reaction A B P G+ +=
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Scale up Issues
Reaction A B P G+ +=
1.) Need of Solvent (Reactant + Solvent = Product + Solvent)
Excess Reactant or Other Solvent
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Scale up Issues
Reaction A B P G+ +=
1.) Need of Solvent (Reactant + Solvent = Product + Solvent)
Excess Reactant or Other Solvent
2.) Activating Reactants
Require Heating
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Scale up Issues
Reaction A B P G+ +=
1.) Need of Solvent (Reactant + Solvent = Product + Solvent)
Excess Reactant or Other Solvent
2.) Activating Reactants
Require Heating
Require Heating/ Cooling
3.) Reaction Heat (Endo/ Exothermic Heat)
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Scale up Issues
Lab To Plant
Fails!!! Why?
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Scale up Issues
Probable Reasons
•Batch Cycle Time
•Degree of Mixing
•Surface to Volume Ratio of Container
Lab to Plant Failures
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Scale up Issues
Results to
Lab to Plant Failures
•Reduced Yield
•Greater Amount of Effluent
•Undesirable By-Products
•Unnecessary Hazardous Operations
•Unduly High Consumption of Energy
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Scale up Issues
Reactor Scale-up requires
Knowledge of
• Chemistry
• Chemical Engineering
• Fluid Mechanics
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Scale up Issues
While Studying, Consider
•Data required for Design
•Construction of Full Size Plant
•Start-up of Full Size Plant
•Safety & Hazardous Issues
•Handling of Material at Large Scale
•Maintenance
Scale-up of Reactor
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Scale up Issues
Basic Issues
• Batch Cycle Time
• Surface-to-Volume Ratio
• Agitation & Mixing
Difference in Lab to Plant Operation
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Scale up Issues
Basic Issues
• Batch Cycle Time
• Surface-to-Volume Ratio
• Agitation & Mixing
Difference in Lab to Plant Operation
•Reaction Time
•Feeding of Raw Materials
•Heating the Reactants
•Cooling of Products
•Products Discharging
•Cleaning
}
Few Mins
to
Many Hours
Depending
Upon
Plant Scale
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Scale up Issues
Basic Issues
•Surface-to-Volume Ratio
Difference in Lab to Plant Operation
•Reduces with Increase in Vessel Size
•Affecting Heating/ Cooling from Surface
•Heat Transfer Rate shall be increased with scale-up
•Additional Heat Transfer Area
•Higher Heating Media Temperature
•Reduce Reaction Rate
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Scale up Issues
Basic Issues
•Agitation & Mixing
Difference in Lab to Plant Operation
•To Keep Same Degree of Mixing as of Small
Power is Proportional to d2
5 Lit to 625 Lit, Scale up
Power625 = 125 x Power5
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Scale up Issues
Basic Issues
•Agitation & Mixing
Difference in Lab to Plant Operation
•To Keep Same Degree of Mixing as of Small
Power is Proportional to d2
5 Lit to 625 Lit, Scale up
Power625 = 125 x Power5
•To Keep Same Agitator Tip Velocity
Power625 = 25 x Power5
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Scale up Issues
Basic Issues
•Agitation & Mixing
Difference in Lab to Plant Operation
Thus, Liquid Circulation Time in Full Scale
Plant is usually Longer than in a Small one.
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Scale up Issues
• Scale Up Based on Similarity Concept
Scale Up Rules
•Geometric Similarity Fixes Lengths
D2/D1 = T2/T1 = b2/b1 = H2/H1 = R
Imp. Dia Tank Dia Blade Width Liquid Level
•Impeller Rotational Speed
N2 = N1 (1/R)n
n = 1 for Equal Liquid Motion
n = 2 for Equal Solid Suspension
.
.
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Scale up Issues
Scale Up Rules
• Scale Up Based on Friction Law of Corresponding States
•Laminar Regime
Power Number is Inversely Proportional to Reynolds Number
•Turbulent Regime
Power Number = Constant
For a fixed flow regime
N Varies as 1/ (D/T)2
P varies as N1/2 and 1/ (D/T)
P/Q varies as 1/ (D/T)2
Q = Flow Rate through Impeller
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Scale up Issues
Scale Up Rules
• Scale Up Based on Agitation Intensity
 Mild to Violent
Criteria for Agitation Intensity
Vessel Turnover = Q / V
Agitation Number, NI : 1 to 10 for Average Bulk Fluid Velocities 6 to 60 ft/min
(Mild to Violent)
For Geometrically Similar,
Impeller Tip Speed, ND = 3.5 π2 NI/(D/T)1.5
if N1D1 = N2D2; Torque per unit volume is constant
Torque/Volume = 3.27 NP ρ NI
2 / gc (H/T)
Vessel Turnover Rate
Q / V = 10.8 NI / V1/3 (H/T)2/3
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Scale up Issues
• Batch vs. Continuous Operation
•Lab Trials in Batch to Plant Operation in Continuous
Practical Considerations
• Temperature, Concentration, Residence Times
•May vary is large scale plant
•May effect Yield and Product Purity
• Provision of Heat Transfer
•Coil – High Heat Transfer Area or Coefficient is Important
or
•Jacket – High viscosity of process fluid, Fouling Nature of main fluid, slurry
From To
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Process Intensification
Objective
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Process Intensification
Reaction A B P G+ +=
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Process Intensification
Reaction A B P G+ +=
1.) Need of Solvent (Reactant + Solvent = Product + Solvent)
Excess Reactant or Other Solvent
Require Separation of SolventConventional :
Reaction followed by
- Distillation
- Extraction
- Filtration
Recent :
- Reactive Distillation
- Reactive Extraction
- Membrane Bio-Reactor
Supercritical CO2 as Solvent
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Process Intensification
Reaction A B P G+ +=
1.) Need of Solvent (Reactant + Solvent = Product + Solvent)
Conventional : - Jacketed Vessel
- Heating Coils
- Electrical Heating
Recent : - Ultrasound (Sonochemical Reactions)
- Microwave
2.) Activating Reactants
Require Heating
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Process Intensification
Reaction A B P G+ +=
1.) Need of Solvent (Reactant + Solvent = Product + Solvent)
Conventional :- Jacketed Vessel
Recent :
Reactor with
Internal Coils
2.) Activating Reactants
Require Heating/ Cooling
3.) Reaction Heat (Endo/ Exothermic Heat)
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Process Intensification
Reaction A B P G+ +=
1.) Need of Solvent (Reactant + Solvent = Product + Solvent)
Micro-Reactors
2.) Activating Reactants
3.) Reaction Heat (Endo/ Exothermic Heat)
klcenter@gmail.comKoncept Learning Center
Reaction Concepts
Enhancing Visualization
Thanks
Koncept Learning Center
9371121220 klcenter@gmail.com
8237829150
9623232500
9371121220
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www.konceptlearningcenter.com
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Reaction Concepts-2019

  • 1. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization
  • 2. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Introduction Chemical Transformation A B P G+ +=
  • 3. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Introduction Product Need by the Customer • Either Specified Directly • Or to be Forecasted by Sales/ Marketing Team
  • 4. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Introduction Product Development Steps Chemical Lab Chemical Plant
  • 5. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Introduction Lab Work For Basic Research – New Molecule Development
  • 6. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Introduction Literature Search Published or Patented Work If Available, Use It Getting Reaction Conditions - Concentration, Temperature, Pressure, etc.
  • 7. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Introduction Pilot Plant Work Customization of Process to Suit Own Requirement Attaining Reaction Conditions - Mixing, Heating/Cooling Rate, Batch Cycle Time, etc.
  • 8. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Introduction Plant Trials Technology Transfer to Operational Team Finalizing SOP
  • 9. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Introduction Commercial Production Safe & Economic Production in Routine
  • 10. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Introduction Nature’s Process Slow, But Perfect
  • 11. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Introduction Man Made Process Enhanced, But Imperfect Yield < 100%
  • 12. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Efforts Required for Chemical Reactions A B P G+ += a) Initiate the Reaction b) Collision of Reactant Molecules c) Maintain Favorable Environment d) Facilitate Reaction
  • 13. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Efforts Required for Chemical Reactions a) Initiate the Reaction o Thermal o Sonic o UV Rays
  • 14. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Efforts Required for Chemical Reactions b) Collision of Reactant Molecules S L G S L G Easy Difficult
  • 15. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Efforts Required for Chemical Reactions c) Maintain Favorable Environment • System Temperature •Exothermic – Cooling Utility •Endothermic – Heating Utility • System Pressure •Low BP Liquids •Gaseous Reactants • Reactant Concentration •Irreversible •Reversible
  • 16. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Efforts Required for Chemical Reactions d) Facilitate Reaction
  • 17. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Conceptualization of Reactor Design A.) Freeing Molecules/ Ions for Collision Solids Solution
  • 18. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Conceptualization of Reactor Design B.) Enhancing Collisions of Molecules • Mixing for Liquid/ Liquid or Liquid/ Solid • Sparging of Gases in Liquid • Fluidizing Solids in Liquid/ Gas
  • 19. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Conceptualization of Reactor Design C.) Maintaining Reaction Temperature • Heating/ Cooling Utilities • Mixing for Enhancing Heat Transfer Rate • Pump Circulation with External Cooler Start up & Routine Operation
  • 20. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Conceptualization of Reactor Design D.) Time for Reaction Completion • Batch Reactor – Batch Time • Continuous Reactor – Residence Time Reaction Time depends upon Rate of Reaction Reaction Kinetics
  • 21. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Rate of Reaction Rate of Reaction Depends Upon: •Nature of Reactants •Concentration •Temperature •Pressure •Catalyst •Surface Area of Reactant •Presence of Light
  • 22. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Rate of Reaction Rate of Reaction Depends Upon: •Nature of Reactants •Concentration •Temperature •Pressure •Catalyst •Surface Area of Reactant •Presence of Light Fast Reaction 2 NO (g) + O2 (g) = 2 NO2 (g) Slow Reaction 2 CO (g) + O2 (g) = 2 CO2 (g) Different Amount of Energies required for Breaking Bonds Ionic Reactions are fast as the ions are already free to join.
  • 23. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Rate of Reaction Rate of Reaction Depends Upon: •Nature of Reactants •Concentration •Temperature •Pressure •Catalyst •Surface Area of Reactant •Presence of Light Order of Reaction aA + bB = cC + dD Reaction Rate = k [A]x [B]y Order of Reaction = x + y For ‘0’ Order Reaction: 2 NH3 (g)  N2 (g) + 3 H2 (g) @1130 K and Pt Catalyst Reaction Rate, r = - d[A]/dt = k k = ([A]0 – [A])/t
  • 24. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Rate of Reaction Rate of Reaction Depends Upon: •Nature of Reactants •Concentration •Temperature •Pressure •Catalyst •Surface Area of Reactant •Presence of Light Order of Reaction aA + bB = cC + dD Reaction Rate = k [A]x [B]y Order of Reaction = x + y For ‘1’ Order Reaction: C2H4 (g) + H2 (g)  C2 H6 (g) Reaction Rate, r = - d[A]/dt = k [A] k = 2.303 log ([A]0/[A]) / t
  • 25. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Rate of Reaction Rate of Reaction Depends Upon: •Nature of Reactants •Concentration •Temperature •Pressure •Catalyst •Surface Area of Reactant •Presence of Light •Increased Concentration of Reactants improves chances of Molecular Collisions
  • 26. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Rate of Reaction Rate of Reaction Depends Upon: •Nature of Reactants •Concentration •Temperature •Pressure •Catalyst •Surface Area of Reactant •Presence of Light •Collisions with sufficient energy (Activation Energy) and proper Orientation only facilitate to break bond and forming new product.
  • 27. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Rate of Reaction Rate of Reaction Depends Upon: •Nature of Reactants •Concentration •Temperature •Pressure •Catalyst •Surface Area of Reactant •Presence of Light C - Br H H H +δ -δ + OH - C - Br H H H +δ -δ OH - . (No Product) Improper Orientation Proper Orientation C---Br H HO H +δ-δ -δ (Intermediate) HO – C - H H H + Br Effect of Orientation (Product)
  • 28. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Rate of Reaction Rate of Reaction Depends Upon: •Temperature •Pressure •Catalyst •Surface Area of Reactant •Presence of Light T Rate N2O5– for Half Decomposition at 50oC 12 Mins 25oC 5 Hrs 0oC 10 Days K = A e-Ea/RT A = Arrhenius Factor or Frequency Factor R = Gas Constant Ea = Activation Energy
  • 29. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Rate of Reaction Rate of Reaction Depends Upon: •Temperature •Pressure •Catalyst •Surface Area of Reactant •Presence of Light Activated Complex H | H I | I + H I H I H - I H - I + H2 + I2 2 HI Ea = Activation Energy
  • 30. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Rate of Reaction Rate of Reaction Depends Upon: •Temperature •Pressure •Catalyst •Surface Area of Reactant •Presence of Light Effect of Rise of Temperature T2 > T1
  • 31. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Rate of Reaction Rate of Reaction Depends Upon: •Pressure •Catalyst •Surface Area of Reactant •Presence of Light For Gases, Increase in Pressure increases Molecular Concentration. Thus Reaction Rate Increases.
  • 32. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Rate of Reaction Rate of Reaction Depends Upon: •Catalyst •Surface Area of Reactant •Presence of Light •Reduces Activation Energy •Increases Speed of Reaction without Consumption •For Reversible Reactions, Catalyst help to attain equilibrium quickly without disturbing the state of equilibrium.
  • 33. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Rate of Reaction Rate of Reaction Depends Upon: •Surface Area of Reactant •Presence of LightFor Solid Reactant or Catalyst, Smaller the Particle Size, Greater is the Surface Area, Faster the Reaction Rate.
  • 34. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Rate of Reaction Rate of Reaction Depends Upon: •Presence of Light Photosynthesis
  • 35. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Engineering of Reactor Space for Carrying Out Reaction Reactor Vessel •Type – Plug / CSTR •Tubular/ Mixing Tank/ Fluidized Bed
  • 36. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Engineering of Reactor Space for Carrying Out Reaction Reactor Vessel •Volume (Working) •Continuous •Batch – Batch Cycle, Numbers •Fed-Batch •Volume (Gross) •Additional Space (% Free Space) •Gas/ Foam…
  • 37. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Engineering of Reactor Space for Carrying Out Reaction Reactor Vessel •Diameter/Height Ratio •Depending upon Gas Flux, Mixing
  • 38. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Engineering of Reactor Space for Carrying Out Reaction Reactor Vessel •Material of Construction •Worst conditions •SS/ CSRL/ MS-SS Lining/ MS-Epoxy
  • 39. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Engineering of Reactor Space for Carrying Out Reaction Reactor Vessel •Surface Finish •For Easy to Clean
  • 40. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Engineering of Reactor Space for Carrying Out Reaction Reactor Vessel •Top / Bottom Ends •Dished / Conical / Sloping
  • 41. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Engineering of Reactor Space for Carrying Out Reaction Reactor Vessel •Thickness •Pressure •Internal •External
  • 42. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Engineering of Reactor Space for Carrying Out Reaction Reactor Vessel •Support •Civil Work •Legs/ Lugs
  • 43. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Engineering of Reactor Reactor Conditions Uniform Concentration •Reactants / Product / Catalyst •Being reactants ‘A’ & ‘B’ are fed at one point only) •Fluid Mixing •Agitator – Top / Side / Baffle •Air / Gas Sparging
  • 44. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Engineering of Reactor Reactor Conditions Temperature •Why : Exo/ Endo-Thermic Heat (Surface to Bulk, Reaction Place to Bulk) •How : Cooling / Heating •Fluid Mixing for Heat Distribution
  • 45. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Engineering of Reactor Reactor Conditions Pressure •Why : To maintain liquid condition, For Gases (Rate is directly proportional to Pressure) •How : Closed / Inert Gases for Liquids
  • 46. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Engineering of Reactor Reactor Conditions Internal Environment •Inert : By Nitrogen •Aerobic : Air
  • 47. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Engineering of Reactor Heating / Cooling Arrangement •Hardware Facility •Jacket – Full/ Limpet/ Dimple •Coil (Internal) •External Heat Exchanger (With Circulation Pump)
  • 48. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Engineering of Reactor Heating / Cooling Arrangement •Utility •Cooling Water / Chilled Water / Brine / Steam •M.O.C. •Insulation •Hot / Cold
  • 49. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Engineering of Reactor Parameter Measurement & Controls •Sampling for Concentration •Liquid / Gas Zone •Pressure •Temperature •pH •Foam •Liquid Level •Flow Rate
  • 50. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Engineering of Reactor Agitator •Type – Blade •Number of Impeller •Speed •Baffle •Sealing Arrangement
  • 51. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Engineering of Reactor Nozzles •Input – Liquid / Solid / Gas •Output •Utility •Agitator •Instrument •Cleaning – Spray Nozzle •Sampling •SG/LG/Manhole •PSV •Spare
  • 52. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Scale up Issues Reaction A B P G+ +=
  • 53. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Scale up Issues Reaction A B P G+ += 1.) Need of Solvent (Reactant + Solvent = Product + Solvent) Excess Reactant or Other Solvent
  • 54. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Scale up Issues Reaction A B P G+ += 1.) Need of Solvent (Reactant + Solvent = Product + Solvent) Excess Reactant or Other Solvent 2.) Activating Reactants Require Heating
  • 55. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Scale up Issues Reaction A B P G+ += 1.) Need of Solvent (Reactant + Solvent = Product + Solvent) Excess Reactant or Other Solvent 2.) Activating Reactants Require Heating Require Heating/ Cooling 3.) Reaction Heat (Endo/ Exothermic Heat)
  • 56. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Scale up Issues Lab To Plant Fails!!! Why?
  • 57. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Scale up Issues Probable Reasons •Batch Cycle Time •Degree of Mixing •Surface to Volume Ratio of Container Lab to Plant Failures
  • 58. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Scale up Issues Results to Lab to Plant Failures •Reduced Yield •Greater Amount of Effluent •Undesirable By-Products •Unnecessary Hazardous Operations •Unduly High Consumption of Energy
  • 59. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Scale up Issues Reactor Scale-up requires Knowledge of • Chemistry • Chemical Engineering • Fluid Mechanics
  • 60. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Scale up Issues While Studying, Consider •Data required for Design •Construction of Full Size Plant •Start-up of Full Size Plant •Safety & Hazardous Issues •Handling of Material at Large Scale •Maintenance Scale-up of Reactor
  • 61. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Scale up Issues Basic Issues • Batch Cycle Time • Surface-to-Volume Ratio • Agitation & Mixing Difference in Lab to Plant Operation
  • 62. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Scale up Issues Basic Issues • Batch Cycle Time • Surface-to-Volume Ratio • Agitation & Mixing Difference in Lab to Plant Operation •Reaction Time •Feeding of Raw Materials •Heating the Reactants •Cooling of Products •Products Discharging •Cleaning } Few Mins to Many Hours Depending Upon Plant Scale
  • 63. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Scale up Issues Basic Issues •Surface-to-Volume Ratio Difference in Lab to Plant Operation •Reduces with Increase in Vessel Size •Affecting Heating/ Cooling from Surface •Heat Transfer Rate shall be increased with scale-up •Additional Heat Transfer Area •Higher Heating Media Temperature •Reduce Reaction Rate
  • 64. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Scale up Issues Basic Issues •Agitation & Mixing Difference in Lab to Plant Operation •To Keep Same Degree of Mixing as of Small Power is Proportional to d2 5 Lit to 625 Lit, Scale up Power625 = 125 x Power5
  • 65. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Scale up Issues Basic Issues •Agitation & Mixing Difference in Lab to Plant Operation •To Keep Same Degree of Mixing as of Small Power is Proportional to d2 5 Lit to 625 Lit, Scale up Power625 = 125 x Power5 •To Keep Same Agitator Tip Velocity Power625 = 25 x Power5
  • 66. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Scale up Issues Basic Issues •Agitation & Mixing Difference in Lab to Plant Operation Thus, Liquid Circulation Time in Full Scale Plant is usually Longer than in a Small one.
  • 67. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Scale up Issues • Scale Up Based on Similarity Concept Scale Up Rules •Geometric Similarity Fixes Lengths D2/D1 = T2/T1 = b2/b1 = H2/H1 = R Imp. Dia Tank Dia Blade Width Liquid Level •Impeller Rotational Speed N2 = N1 (1/R)n n = 1 for Equal Liquid Motion n = 2 for Equal Solid Suspension . .
  • 68. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Scale up Issues Scale Up Rules • Scale Up Based on Friction Law of Corresponding States •Laminar Regime Power Number is Inversely Proportional to Reynolds Number •Turbulent Regime Power Number = Constant For a fixed flow regime N Varies as 1/ (D/T)2 P varies as N1/2 and 1/ (D/T) P/Q varies as 1/ (D/T)2 Q = Flow Rate through Impeller
  • 69. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Scale up Issues Scale Up Rules • Scale Up Based on Agitation Intensity  Mild to Violent Criteria for Agitation Intensity Vessel Turnover = Q / V Agitation Number, NI : 1 to 10 for Average Bulk Fluid Velocities 6 to 60 ft/min (Mild to Violent) For Geometrically Similar, Impeller Tip Speed, ND = 3.5 π2 NI/(D/T)1.5 if N1D1 = N2D2; Torque per unit volume is constant Torque/Volume = 3.27 NP ρ NI 2 / gc (H/T) Vessel Turnover Rate Q / V = 10.8 NI / V1/3 (H/T)2/3
  • 70. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Scale up Issues • Batch vs. Continuous Operation •Lab Trials in Batch to Plant Operation in Continuous Practical Considerations • Temperature, Concentration, Residence Times •May vary is large scale plant •May effect Yield and Product Purity • Provision of Heat Transfer •Coil – High Heat Transfer Area or Coefficient is Important or •Jacket – High viscosity of process fluid, Fouling Nature of main fluid, slurry
  • 71. From To klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Process Intensification Objective
  • 72. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Process Intensification Reaction A B P G+ +=
  • 73. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Process Intensification Reaction A B P G+ += 1.) Need of Solvent (Reactant + Solvent = Product + Solvent) Excess Reactant or Other Solvent Require Separation of SolventConventional : Reaction followed by - Distillation - Extraction - Filtration Recent : - Reactive Distillation - Reactive Extraction - Membrane Bio-Reactor Supercritical CO2 as Solvent
  • 74. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Process Intensification Reaction A B P G+ += 1.) Need of Solvent (Reactant + Solvent = Product + Solvent) Conventional : - Jacketed Vessel - Heating Coils - Electrical Heating Recent : - Ultrasound (Sonochemical Reactions) - Microwave 2.) Activating Reactants Require Heating
  • 75. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Process Intensification Reaction A B P G+ += 1.) Need of Solvent (Reactant + Solvent = Product + Solvent) Conventional :- Jacketed Vessel Recent : Reactor with Internal Coils 2.) Activating Reactants Require Heating/ Cooling 3.) Reaction Heat (Endo/ Exothermic Heat)
  • 76. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Process Intensification Reaction A B P G+ += 1.) Need of Solvent (Reactant + Solvent = Product + Solvent) Micro-Reactors 2.) Activating Reactants 3.) Reaction Heat (Endo/ Exothermic Heat)
  • 77. klcenter@gmail.comKoncept Learning Center Reaction Concepts Enhancing Visualization Thanks
  • 78. Koncept Learning Center 9371121220 klcenter@gmail.com 8237829150 9623232500 9371121220 www.facebook.com/KonceptLearningCenter www.konceptlearningcenter.com www.linkedin.com/company/koncept-learning-center Enhancing Visualization Since 2001